2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide

C13H21ClN6O — CID 80784909

IUPAC2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
SMILESCCCNc1nc(Cl)nc(N2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C13H21ClN6O/c1-2-5-16-12-17-11(14)18-13(19-12)20-6-3-9(4-7-20)8-10(15)21/h9H,2-8H2,1H3,(H2,15,21)(H,16,17,18,19)
InChIKeyBUDFMZCLAZUKFO-UHFFFAOYSA-N
MW312.81 g/mol
LogP1.44
Rot. Bonds6

About 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide

2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide (PubChem CID 80784909) has the molecular formula C13H21ClN6O and a molecular weight of 312.81 g/mol. Its IUPAC name is 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
PubChem CID80784909
Molecular FormulaC13H21ClN6O
Molecular Weight312.81 g/mol
Exact Mass312.15
IUPAC Name2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
SMILESCCCNc1nc(Cl)nc(N2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C13H21ClN6O/c1-2-5-16-12-17-11(14)18-13(19-12)20-6-3-9(4-7-20)8-10(15)21/h9H,2-8H2,1H3,(H2,15,21)(H,16,17,18,19)
InChIKeyBUDFMZCLAZUKFO-UHFFFAOYSA-N
XLogP1.44
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.81
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylpiperidine-4-carboxamide
CID 80779384
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]oxyethanol
CID 82689356
4-chloro-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835290
4-chloro-N-ethyl-6-(4-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80796310
2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
CID 544488
1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322432
4-chloro-N-ethyl-6-(4-ethylazepan-1-yl)-1,3,5-triazin-2-amine
CID 80837274
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
4-chloro-6-(3,3-dimethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80835002
4-chloro-N-ethyl-6-(4-propan-2-ylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 103504632
N-[[1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methyl]acetamide
CID 102737118
1-[4-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80767278

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide (CID 80784909) is 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide is CCCNc1nc(Cl)nc(N2CCC(CC(N)=O)CC2)n1.
What is the InChIKey of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is BUDFMZCLAZUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O/c1-2-5-16-12-17-11(14)18-13(19-12)20-6-3-9(4-7-20)8-10(15)21/h9H,2-8H2,1H3,(H2,15,21)(H,16,17,18,19).
What are the key properties of 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 312.81 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 80784909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).